2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole

C33H25F6N5O2 — CID 176653366

About 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole

2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole (PubChem CID 176653366) has the molecular formula C33H25F6N5O2 and a molecular weight of 637.58 g/mol. Its IUPAC name is 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

• Compound Name: 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole
• PubChem CID: 176653366
• Molecular Formula: C33H25F6N5O2
• Molecular Weight: 637.58 g/mol
• Exact Mass: 637.19
• IUPAC Name: 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole
• SMILES: COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(-c5cnn(C(F)(F)F)c5)cc4F)n3)cc2F)nc2ccccc21
• InChI: InChI=1S/C33H25F6N5O2/c1-45-12-11-43-30-7-3-2-5-29(30)41-31(43)15-22-14-27(36)24(16-26(22)35)28-6-4-8-32(42-28)46-19-21-10-9-20(13-25(21)34)23-17-40-44(18-23)33(37,38)39/h2-10,13-14,16-18H,11-12,15,19H2,1H3
• InChIKey: INWZRQPCBMKWKK-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 66.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.58
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole?

The IUPAC name of 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole (CID 176653366) is 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole.

What is the SMILES notation for 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole?

The canonical SMILES for 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole is COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(-c5cnn(C(F)(F)F)c5)cc4F)n3)cc2F)nc2ccccc21.

What is the InChIKey of 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole?

The InChIKey is INWZRQPCBMKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F6N5O2/c1-45-12-11-43-30-7-3-2-5-29(30)41-31(43)15-22-14-27(36)24(16-26(22)35)28-6-4-8-32(42-28)46-19-21-10-9-20(13-25(21)34)23-17-40-44(18-23)33(37,38)39/h2-10,13-14,16-18H,11-12,15,19H2,1H3.

What are the key properties of 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole?

2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole has a molecular weight of 637.58 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 176653366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).